Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29450636 | 0.87 | CYP2C9 (0.54) | HCRTR2CYP2C9TRPV1HSD17B10KCNQ2 | |
| SCHEMBL29450619 | 0.81 | TRPV1 (0.60) | ALDH1A1CYP2C9CYP2C19TRPV1ADORA3 | |
| SCHEMBL29450624 | 0.81 | TRPV1 (0.60) | ALDH1A1CYP2C9CYP2C19TRPV1ADORA3 | |
| SCHEMBL29450620 | 0.80 | HTT (0.59) | ALDH1A1ALOX15TSHRSMN1; SMN2AHR | |
| SCHEMBL27485897 | 0.79 | ALDH1A1 (0.58) | HCRTR2ALDH1A1CYP2C9ALOX15TSHR | |
| SCHEMBL4379502 | 0.77 | KMT2A (0.54) | ALDH1A1TSHRSMN1; SMN2ADORA3HTT | |
| SCHEMBL1651896 | 0.77 | CYP2A6 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL29450637 | 0.76 | POLB (0.64) | HCRTR2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12448114 | 0.76 | RAB9A (0.62) | ALDH1A1TSHRHTTKDM4EMAPT | |
| SCHEMBL29450607 | 0.76 | NAMPT (0.62) | ALDH1A1TSHRADRA2CSMN1; SMN2HTT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022030589-A1 | LIGAND CONTAINING MONODENTATE COORDINATION UREA COMPOUND, AND BORYLATION CATALYST CONTAINING SAME | 国立大学法人北海道大学 | 2022-02-10 | — | — | WO | disclosed |